SCHEMBL13586124

SCHEMBL13586124

CCCC(O)C1CCC(c2ccc(OCc3ccc(-c4ccc(OCC)c(F)c4)cc3)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.36
▸ PPARD Q03181 4/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ NAAA Q02083 2/20 0.35
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ S1PR5 Q9H228 1/20 0.33
▸ CAMKK1 Q8N5S9 1/20 0.33
▸ CAMKK2 Q96RR4 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ KDM1A O60341 2/20 0.32
▸ CTSA P10619 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12821301 0.92 SLC6A2 (0.34) FFAR1PPARDNR1H4NAAASLC6A2
SCHEMBL12821180 0.90 GABRA1 (0.33) FFAR1PPARDNR1H4NAAASLC6A2
SCHEMBL12821177 0.90 GABRA1 (0.33) FFAR1PPARDNR1H4NAAASLC6A2
SCHEMBL12823319 0.90 FFAR1 (0.38) FFAR1PPARDNR1H4NAAASLC6A2
SCHEMBL12822802 0.89 NR1H4 (0.33) NR1H4NAAASLC6A2SLC6A4SLC6A3
SCHEMBL12823374 0.89 NAAA (0.35) FFAR1PPARDNR1H4NAAACAMKK1
SCHEMBL12823568 0.89 FEN1 (0.36) FFAR1SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12822363 0.87 FFAR1 (0.40) FFAR1PPARDF10
SCHEMBL12823908 0.87 FFAR1 (0.40) FFAR1PPARDF10
SCHEMBL12822582 0.86 MAPT (0.34) FFAR1PPARDNR1H4CAMKK1CAMKK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO disclosed
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